SCHEMBL31013835

C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)O)[C@@H](C)O

nearest known ligand 0.56

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	IL23R	Q5VWK5	2/20	0.53

▸	KEAP1	Q14145	1/20	0.53

▸	VIPR2	P41587	5/20	0.53

▸	VIPR1	P32241	2/20	0.53

▸	OPRL1	P41146	2/20	0.53

▸	OPRD1	P41143	2/20	0.52

▸	OPRM1	P35372	1/20	0.52

▸	OPRK1	P41145	1/20	0.52

▸	TFPI	P10646	1/20	0.51

▸	NPY1R	P25929	2/20	0.51

▸	NPY4R	P50391	2/20	0.51

▸	NPY5R	Q15761	2/20	0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compound	similarity	top predicted	shared targets
SCHEMBL30354444	1.00	IL23R (0.53)	IL23RKEAP1VIPR2VIPR1OPRL1
SCHEMBL31370896	0.89	TFPI (0.57)	IL23RKEAP1VIPR2VIPR1OPRL1
SCHEMBL31411175	0.89	TFPI (0.57)	IL23RKEAP1VIPR2VIPR1OPRL1
SCHEMBL30590517	0.87	NPY4R (0.54)	KEAP1OPRL1OPRD1OPRM1OPRK1
SCHEMBL31013834	0.87	NPY4R (0.57)	IL23RKEAP1TFPINPY1RNPY4R
SCHEMBL30354440	0.87	NPY4R (0.57)	IL23RKEAP1TFPINPY1RNPY4R
SCHEMBL30690149	0.86	NPY4R (0.59)	IL23RKEAP1OPRD1OPRM1OPRK1
SCHEMBL29839266	0.86	NPY4R (0.58)	OPRD1NPY1RNPY4RNPY5R
SCHEMBL30310937	0.86	TFPI (0.58)	OPRD1OPRM1OPRK1TFPINPY1R
SCHEMBL29492123	0.85	NPY4R (0.56)	OPRD1OPRM1OPRK1NPY1RNPY4R

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
CN-115947786-B	Self-assembled short peptide with crystallization induction capability and long-acting local anesthetic and antitumor drug prepared from self-assembled short peptide	四川大学华西医院	2024-07-26	—	—	CN	disclosed